CID 91868

2-chloro-6-fluorobenzyl alcohol

Structural Information

Molecular Formula
C7H6ClFO
SMILES
C1=CC(=C(C(=C1)Cl)CO)F
InChI
InChI=1S/C7H6ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
InChIKey
ZZFCUESFXBCRSC-UHFFFAOYSA-N
Compound name
(2-chloro-6-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

292
Patents

160.00912 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01640 125.9
[M+Na]+ 182.99834 139.8
[M+NH4]+ 178.04294 135.0
[M+K]+ 198.97228 132.8
[M-H]- 159.00184 127.0
[M+Na-2H]- 180.98379 133.2
[M]+ 160.00857 128.5
[M]- 160.00967 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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